2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide

C21H23FN4O — CID 158229155

IUPAC2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
SMILESCCC[C@@H](Nc1nc(CC)nc2c(C(N)=O)cccc12)c1cccc(F)c1
InChIInChI=1S/C21H23FN4O/c1-3-7-17(13-8-5-9-14(22)12-13)24-21-16-11-6-10-15(20(23)27)19(16)25-18(4-2)26-21/h5-6,8-12,17H,3-4,7H2,1-2H3,(H2,23,27)(H,24,25,26)/t17-/m1/s1
InChIKeyGEDYXTGPKXQBNJ-QGZVFWFLSA-N
MW366.44 g/mol
LogP4.38
Rot. Bonds7

About 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide

2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide (PubChem CID 158229155) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
PubChem CID158229155
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
SMILESCCC[C@@H](Nc1nc(CC)nc2c(C(N)=O)cccc12)c1cccc(F)c1
InChIInChI=1S/C21H23FN4O/c1-3-7-17(13-8-5-9-14(22)12-13)24-21-16-11-6-10-15(20(23)27)19(16)25-18(4-2)26-21/h5-6,8-12,17H,3-4,7H2,1-2H3,(H2,23,27)(H,24,25,26)/t17-/m1/s1
InChIKeyGEDYXTGPKXQBNJ-QGZVFWFLSA-N
XLogP4.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 56651606
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 56651607
4-[[2-(azetidin-1-yl)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67632841
4-[[(1S)-2-(ethylamino)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxylic acid
CID 140576302
4-[[1-[3-[(2,4-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 46868957
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
4-[azetidin-1-yl-[2-(3-fluorophenyl)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 118467362
4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869452
4-[[1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381
4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 158319188
methyl 4-[(2S)-3-(azetidin-3-yl)-2-(3-fluorophenyl)propyl]-2-ethylquinazoline-8-carboxylate
CID 141424313

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide (CID 158229155) is 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide is CCC[C@@H](Nc1nc(CC)nc2c(C(N)=O)cccc12)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide?
The InChIKey is GEDYXTGPKXQBNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-3-7-17(13-8-5-9-14(22)12-13)24-21-16-11-6-10-15(20(23)27)19(16)25-18(4-2)26-21/h5-6,8-12,17H,3-4,7H2,1-2H3,(H2,23,27)(H,24,25,26)/t17-/m1/s1.
What are the key properties of 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide?
2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 158229155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).